Geometry & MOs

Info

ID:	230311
PubChem CID:	87570630
Reduced:	O6C25H32 (1)
Stoich.:	A6B25C32 (1)
Weight, g/mol:	508.122161
ΔH_f, kcal/mol:	-151.8
Dipole, Da:	5.44
IP(EA), eV:	-8.74(0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[3,5-bis(trifluoromethyl)phenyl]methyl]-1-[(4-hydroxyphenyl)methyl]-3-oxoisoindole-1-carboxamide

Drug info:

PubChemData

Smile

C1C2CC3CC1CC(C2)(C3)C4=C(C=C(C=C4OCC5CO5)OCC6CO6)OCC7CO7

DOS

IR

Vibrations